2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(6-methyl-1H-indol-3-yl)methylideneamino]guanidine

C19H20ClN5 — CID 166628233

IUPAC2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(6-methyl-1H-indol-3-yl)methylideneamino]guanidine
SMILESCc1ccc2c(/C=N/N/C(N)=N/CCc3ccc(Cl)cc3)c[nH]c2c1
InChIInChI=1S/C19H20ClN5/c1-13-2-7-17-15(11-23-18(17)10-13)12-24-25-19(21)22-9-8-14-3-5-16(20)6-4-14/h2-7,10-12,23H,8-9H2,1H3,(H3,21,22,25)/b24-12+
InChIKeyCYXJTJNBMRVDGJ-WYMPLXKRSA-N
MW353.86 g/mol
LogP3.61
Rot. Bonds5

About 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(6-methyl-1H-indol-3-yl)methylideneamino]guanidine

2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(6-methyl-1H-indol-3-yl)methylideneamino]guanidine (PubChem CID 166628233) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(6-methyl-1H-indol-3-yl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(6-methyl-1H-indol-3-yl)methylideneamino]guanidine
PubChem CID166628233
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(6-methyl-1H-indol-3-yl)methylideneamino]guanidine
SMILESCc1ccc2c(/C=N/N/C(N)=N/CCc3ccc(Cl)cc3)c[nH]c2c1
InChIInChI=1S/C19H20ClN5/c1-13-2-7-17-15(11-23-18(17)10-13)12-24-25-19(21)22-9-8-14-3-5-16(20)6-4-14/h2-7,10-12,23H,8-9H2,1H3,(H3,21,22,25)/b24-12+
InChIKeyCYXJTJNBMRVDGJ-WYMPLXKRSA-N
XLogP3.61
TPSA78.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Tepirindole
CID 68915
2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethan-1-amine
CID 3795475
3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole
CID 5302583
(4R)-4-(3,4-dichlorophenyl)-4-(1H-indol-4-yl)-N-methylbutan-1-amine;hydrochloride
CID 44569529
N-(2-chlorobenzyl)-2-(1H-indol-3-yl)ethanamine
CID 472130
3-[[4-(5-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-N,N-dimethylaniline
CID 9885485
5-Chloro-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-butyl]-1H-indole
CID 10340978
{2-[2-(4-Chloro-phenyl)-1H-indol-3-yl]-ethyl}-ethyl-methyl-amine
CID 44324056
3-(1-benzyl-1,2,3,6-tetrahydropyridin-4-yl)-5-chloro-1H-indole
CID 44413379
N-[(E)-[2-(4-chlorophenyl)-1H-indol-3-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 135847967
3-(N-p-Chlorophenylformimidoyl)indole
CID 31165
2-(2,4-dichlorophenyl)-2-(1H-indol-3-yl)ethan-1-amine
CID 3298744

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(6-methyl-1H-indol-3-yl)methylideneamino]guanidine?
The IUPAC name of 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(6-methyl-1H-indol-3-yl)methylideneamino]guanidine (CID 166628233) is 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(6-methyl-1H-indol-3-yl)methylideneamino]guanidine.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(6-methyl-1H-indol-3-yl)methylideneamino]guanidine?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(6-methyl-1H-indol-3-yl)methylideneamino]guanidine is Cc1ccc2c(/C=N/N/C(N)=N/CCc3ccc(Cl)cc3)c[nH]c2c1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(6-methyl-1H-indol-3-yl)methylideneamino]guanidine?
The InChIKey is CYXJTJNBMRVDGJ-WYMPLXKRSA-N. The full InChI is InChI=1S/C19H20ClN5/c1-13-2-7-17-15(11-23-18(17)10-13)12-24-25-19(21)22-9-8-14-3-5-16(20)6-4-14/h2-7,10-12,23H,8-9H2,1H3,(H3,21,22,25)/b24-12+.
What are the key properties of 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(6-methyl-1H-indol-3-yl)methylideneamino]guanidine?
2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(6-methyl-1H-indol-3-yl)methylideneamino]guanidine has a molecular weight of 353.86 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethyl]-1-[(E)-(6-methyl-1H-indol-3-yl)methylideneamino]guanidine is sourced from PubChem (CID 166628233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).